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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM298449'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM298449
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(O)(O)=O
Show InChI InChI=1S/C43H53N6O14PS/c1-43(2,3)27-22-33(40(59-6)34(23-27)49-65(7,55)56)48-42(51)47-32-12-13-35(31-11-9-8-10-30(31)32)63-29-14-15-44-38(26-29)46-28-24-36(57-4)39(37(25-28)58-5)41(50)45-16-17-60-18-19-61-20-21-62-64(52,53)54/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)(H2,52,53,54)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...


US Patent US9751837 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM298449
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(O)(O)=O
Show InChI InChI=1S/C43H53N6O14PS/c1-43(2,3)27-22-33(40(59-6)34(23-27)49-65(7,55)56)48-42(51)47-32-12-13-35(31-11-9-8-10-30(31)32)63-29-14-15-44-38(26-29)46-28-24-36(57-4)39(37(25-28)58-5)41(50)45-16-17-60-18-19-61-20-21-62-64(52,53)54/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)(H2,52,53,54)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...


US Patent US10125100 (2018)

More data for this
Ligand-Target Pair